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	hartrees
Energy at 0K	-213.086732
Energy at 298.15K	-213.099500
HF Energy	-212.330791
Nuclear repulsion energy	187.960373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3506	3339	0.28
2	A'	3196	3045	32.59
3	A'	3175	3025	52.69
4	A'	3106	2958	52.69
5	A'	3082	2936	12.68
6	A'	2987	2845	158.59
7	A'	1526	1454	0.84
8	A'	1500	1428	2.36
9	A'	1488	1417	13.08
10	A'	1433	1365	2.86
11	A'	1389	1323	0.33
12	A'	1328	1264	4.96
13	A'	1243	1184	1.05
14	A'	1173	1118	12.55
15	A'	1091	1040	7.11
16	A'	921	877	11.92
17	A'	832	792	5.91
18	A'	811	772	55.21
19	A'	431	410	0.24
20	A'	274	261	0.75
21	A'	186	177	0.57
22	A'	115	110	1.05
23	A"	3196	3045	8.43
24	A"	3175	3024	12.18
25	A"	3105	2957	0.36
26	A"	3082	2935	30.96
27	A"	2984	2842	9.62
28	A"	1516	1444	8.92
29	A"	1501	1430	7.30
30	A"	1496	1425	7.16
31	A"	1475	1405	15.25
32	A"	1407	1340	12.64
33	A"	1355	1290	34.66
34	A"	1286	1225	2.83
35	A"	1192	1135	38.14
36	A"	1117	1064	5.28
37	A"	1078	1026	5.11
38	A"	962	917	0.23
39	A"	811	772	0.34
40	A"	426	406	0.69
41	A"	273	260	0.78
42	A"	112	106	1.09

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.293	0.000
C2	0.018	0.520	1.215
C3	0.018	0.520	-1.215
C4	0.018	-0.372	2.453
C5	0.018	-0.372	-2.453
H6	-0.840	-0.854	0.000
H7	-0.837	1.234	1.261
H8	0.936	1.136	1.202
H9	-0.837	1.234	-1.261
H10	0.936	1.136	-1.202
H11	0.076	0.228	3.376
H12	-0.905	-0.975	2.502
H13	0.875	-1.062	2.420
H14	0.076	0.228	-3.376
H15	-0.905	-0.975	-2.502
H16	0.875	-1.062	-2.420

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4618	1.4618	2.4540	2.4540	1.0255	2.1565	2.0807	2.1565	2.0807	3.4162	2.7524	2.6799	3.4162	2.7524	2.6799
C2	1.4618		2.4301	1.5254	3.7746	2.0252	1.1148	1.1055	2.7146	2.6580	2.1811	2.1779	2.1656	4.6004	4.1111	4.0558
C3	1.4618	2.4301		3.7746	1.5254	2.0252	2.7146	2.6580	1.1148	1.1055	4.6004	4.1111	4.0558	2.1811	2.1779	2.1656
C4	2.4540	1.5254	3.7746		4.9055	2.6430	2.1749	2.1632	4.1349	4.0588	1.1023	1.1042	1.1015	5.8596	5.0756	4.9952
C5	2.4540	3.7746	1.5254	4.9055		2.6430	4.1349	4.0588	2.1749	2.1632	5.8596	5.0756	4.9952	1.1023	1.1042	1.1015
H6	1.0255	2.0252	2.0252	2.6430	2.6430		2.4391	2.9259	2.4391	2.9259	3.6615	2.5053	2.9734	3.6615	2.5053	2.9734
H7	2.1565	1.1148	2.7146	2.1749	4.1349	2.4391		1.7766	2.5211	3.0361	2.5138	2.5348	3.0900	4.8312	4.3633	4.6635
H8	2.0807	1.1055	2.6580	2.1632	4.0588	2.9259	1.7766		3.0361	2.4044	2.5075	3.0880	2.5136	4.7456	4.6438	4.2372
H9	2.1565	2.7146	1.1148	4.1349	2.1749	2.4391	2.5211	3.0361		1.7766	4.8312	4.3633	4.6635	2.5138	2.5348	3.0900
H10	2.0807	2.6580	1.1055	4.0588	2.1632	2.9259	3.0361	2.4044	1.7766		4.7456	4.6438	4.2372	2.5075	3.0880	2.5136
H11	3.4162	2.1811	4.6004	1.1023	5.8596	3.6615	2.5138	2.5075	4.8312	4.7456		1.7820	1.7940	6.7515	6.0790	5.9909
H12	2.7524	2.1779	4.1111	1.1042	5.0756	2.5053	2.5348	3.0880	4.3633	4.6438	1.7820		1.7847	6.0790	5.0031	5.2342
H13	2.6799	2.1656	4.0558	1.1015	4.9952	2.9734	3.0900	2.5136	4.6635	4.2372	1.7940	1.7847		5.9909	5.2342	4.8393
H14	3.4162	4.6004	2.1811	5.8596	1.1023	3.6615	4.8312	4.7456	2.5138	2.5075	6.7515	6.0790	5.9909		1.7820	1.7940
H15	2.7524	4.1111	2.1779	5.0756	1.1042	2.5053	4.3633	4.6438	2.5348	3.0880	6.0790	5.0031	5.2342	1.7820		1.7847
H16	2.6799	4.0558	2.1656	4.9952	1.1015	2.9734	4.6635	4.2372	3.0900	2.5136	5.9909	5.2342	4.8393	1.7940	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.451	N1	C2	H7	112.952
N1	C2	H8	107.466	N1	C3	C5	110.451
N1	C3	H9	112.952	N1	C3	H10	107.466
C2	N1	C3	112.440	C2	N1	H6	107.723
C2	C4	H11	111.182	C2	C4	H12	110.820
C2	C4	H13	110.007	C3	N1	H6	107.723
C3	C5	H14	111.182	C3	C5	H15	110.820
C3	C5	H16	110.007	C4	C2	H7	109.950
C4	C2	H8	109.581	C5	C3	H8	150.849
C5	C3	H10	109.581	H7	C2	H8	106.288
H9	C3	H10	106.288	H11	C4	H12	107.730
H11	C4	H13	108.985	H12	C4	H13	108.025
H14	C5	H15	107.730	H14	C5	H16	108.985
H15	C5	H16	108.025

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)

using model chemistry: MP2/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for NH(C2H5)2 (diethylamine)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)